
 CHEMBL3658300

 38 40  0  0  0  0  0  0  0  0999 V2000
   -2.7642   -2.7004    0.5073 C   0  0  0  0  0
   -2.0899   -2.5845    1.6990 C   0  0  0  0  0
   -0.7563   -2.4472    1.4820 O   0  0  0  0  0
   -0.5603   -2.4814    0.1289 C   0  0  0  0  0
   -1.7803   -2.6295   -0.5075 C   0  0  0  0  0
    0.7764   -2.3698   -0.4155 C   0  0  0  0  0
    0.9709   -2.3192   -1.6313 O   0  0  0  0  0
    1.9215   -2.2869    0.5908 C   0  0  0  0  0
    3.4541   -3.0287   -0.0678 S   0  0  0  0  0
    2.8864   -4.7081   -0.1718 C   0  0  0  0  0
    2.8827   -5.4189    0.9724 N   0  0  0  0  0
    2.4103   -6.6910    0.9107 C   0  0  0  0  0
    1.9156   -7.2924   -0.2441 C   0  0  0  0  0
    1.9185   -6.5257   -1.4109 C   0  0  0  0  0
    2.4260   -5.2247   -1.3776 C   0  0  0  0  0
    1.3674   -8.6747   -0.1374 C   0  0  0  0  0
    1.1973   -9.1309    0.9882 O   0  0  0  0  0
    1.1049   -9.3360   -1.3262 N   0  0  0  0  0
    0.4812  -10.5964   -1.4732 C   0  0  0  0  0
   -0.0858  -11.3153   -0.4160 C   0  0  0  0  0
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   -0.7315  -13.0756   -1.9285 C   0  0  0  0  0
   -0.1848  -12.3757   -2.9950 C   0  0  0  0  0
    0.4181  -11.1349   -2.7681 C   0  0  0  0  0
   -1.3081  -14.2652   -2.1440 F   0  0  0  0  0
   -3.8311   -2.8211    0.3854 H   0  0  0  0  0
   -2.3978   -2.5814    2.7365 H   0  0  0  0  0
   -1.9270   -2.6833   -1.5759 H   0  0  0  0  0
    1.6698   -2.7931    1.5267 H   0  0  0  0  0
    2.1058   -1.2297    0.8079 H   0  0  0  0  0
    2.4348   -7.2240    1.8592 H   0  0  0  0  0
    1.5100   -6.8875   -2.3474 H   0  0  0  0  0
    2.4210   -4.6106   -2.2750 H   0  0  0  0  0
    1.4358   -8.9204   -2.1846 H   0  0  0  0  0
   -0.0831  -10.9368    0.6014 H   0  0  0  0  0
   -1.1285  -13.1129    0.1798 H   0  0  0  0  0
   -0.2292  -12.7990   -3.9932 H   0  0  0  0  0
    0.8410  -10.6029   -3.6166 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  5 28  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
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 14 32  1  0  0  0
 15 33  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
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 18 34  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
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 24 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3658300

>  <PubChem CID>
91937292

>  <Formula>
C18H13FN2O3S

>  <Molecular Weight>
356.371000

>  <IUPAC Name>
N-(4-fluorophenyl)-6-[2-(furan-2-yl)-2-oxoethyl]sulfanylpyridine-3-carboxamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=COC(=C1)C(=O)CSC2=NC=C(C=C2)C(=O)NC3=CC=C(C=C3)F

>  <Isomeric SMILES>
C1=COC(=C1)C(=O)CSC2=NC=C(C=C2)C(=O)NC3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C18H13FN2O3S/c19-13-4-6-14(7-5-13)21-18(23)12-3-8-17(20-10-12)25-11-15(22)16-2-1-9-24-16/h1-10H,11H2,(H,21,23)

>  <InChI Key>
BBICXYFZZZDNIR-UHFFFAOYSA-N

